4- (Cyclohexylmethoxy) benzoic acid

CAT: 0926-CHA02566-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-CHA02566-01Size:0.5 g

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CAS Number

177025-66-0

MDL Number

MFCD11115504

Smiles

C1CCC (CC1) COC2=CC=C (C=C2) C (=O) O

Molecular Formula

C14H18O3

Molecular Weight

234.29 g/mol

Controlled

Chemical Information

4-(Cyclohexylmethoxy)benzoic acid

CAS Number	177025-66-0
PubChem CID	25019689
IUPAC Name	4-(cyclohexylmethoxy)benzoic acid
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	4.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	238

SMILES

C1CCC(CC1)COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,15,16)

InChIKey

VVAQLOMOWIACOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177025-66-0

CID: 25019689

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	234.125594432
Monoisotopic Mass	234.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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BFA52153-01	4- (Cyclohexylmethoxy) benzaldehyde
EWB94087-01	3- (Cyclohexylmethoxy) -4-methylaniline
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QAA87243-01	4- (Nonyloxy) benzoic acid

Catalog	Name
OR1091953	2- (Cyclohexylmethoxy) benzoic acid
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